(2-{bis[2-(dimethylamino)ethyl]amino}ethyl)dimethylamine

• ChemBase ID: 143162
• Molecular Formular: C12H30N4
• Molecular Mass: 230.3934
• Monoisotopic Mass: 230.24704698
• SMILES: CN(C)CCN(CCN(C)C)CCN(C)C
• Canonical SMILES: CN(CCN(CCN(C)C)CCN(C)C)C
• InChI: InChI=1S/C12H30N4/c1-13(2)7-10-16(11-8-14(3)4)12-9-15(5)6/h7-12H2,1-6H3
• InChIKey: VMGSQCIDWAUGLQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-{bis[2-(dimethylamino)ethyl]amino}ethyl)dimethylamine
• IUPAC Traditional name: (2-{bis[2-(dimethylamino)ethyl]amino}ethyl)dimethylamine
• Synonyms: Me6TREN; Tris[2-(dimethylamino)ethyl]amine; 三[2-(二甲氨基)乙基]胺

Database IDs

• CAS Number: 33527-91-2
• MDL Number: MFCD00015607
• PubChem SID: 162237383
• PubChem CID: 263094

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -9.470018
• LogD (pH = 7.4): -4.886587
• Log P: 0.24610303
• Molar Refractivity: 74.0454 cm^3
• Polarizability: 28.977026 Å^3
• Polar Surface Area: 12.96 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 104 °C; 219.2 °F
• Density: 0.862 g/mL at 25 °C
• Refractive Index: n20/D 1.455

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 2735
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 3
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314
• GHS Precautionary statements: P280-P305 + P351 + P338-P310
• RID/ADR: UN 2735 8/PG 3

Product Information

• Empirical Formula (Hill Notation): C12H30N4

DETAILS

Sigma Aldrich - 723142

Application
Atom Transfer Radical Polymerization (ATRP) ligand for the creation of telechelic polymers.1,2,3,4
Packaging
1 mL in glass bottle
Protocols & Applications
ATRP for Everyone: Ligands and Initiators for the Clean Synthesis of Functional Polymers
ATRP: Complete Tools for the Synthesis of Well-Defined Functionalized Polymers